The frontier orbital theory was used to explain the soft hard acid base principles,and the soft hard acid base principles were used to explain the stabilities of supramolecular chemical compounds.

• 运用前线轨道理论解释了软硬酸碱原理,并利用软硬酸碱原理解释了超分子化合物的稳定性,及电子原子种类对离子选择性的影响。